Information card for entry 4341098

Structure parameters

• Common name: (Ph4P)2[Zn(dmit)2](MeCN)
• Formula: C56 H43 N P2 S10 Zn
• Calculated formula: C55.996 H42.994 N0.998 P2 S10 Zn
• Title of publication: A mononuclear transition metal single-molecule magnet in a nuclear spin-free ligand environment.
• Authors of publication: Fataftah, Majed S.; Zadrozny, Joseph M.; Rogers, Dylan M.; Freedman, Danna E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10716 - 10721
• a: 9.5492 ± 0.0004 Å
• b: 16.946 ± 0.0008 Å
• c: 19.166 ± 0.0009 Å
• α: 64.712 ± 0.002°
• β: 78.433 ± 0.002°
• γ: 77.777 ± 0.002°
• Cell volume: 2719.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No